SCHEMBL2200263

SCHEMBL2200263

O=C(c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
MGLL Q99685 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP17A1 P05093 1/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2200270 1.00 TRPV1 (0.40) TRPV1MEN1KMT2AMAPK1MAPT
SCHEMBL2197802 0.90 SLC5A1 (0.36) MGLL
SCHEMBL2197799 0.90 SLC5A1 (0.36) MGLL
SCHEMBL2201211 0.90 TRPV1 (0.41) TRPV1MEN1KMT2AMAPK1MAPT
SCHEMBL2201207 0.90 TRPV1 (0.41) TRPV1MEN1KMT2AMAPK1MAPT
SCHEMBL2200231 0.87 KMT2A (0.40) TRPV1MEN1KMT2AMGLLTSHR
SCHEMBL2202594 0.87 KMT2A (0.40) TRPV1MEN1KMT2AMGLLTSHR
SCHEMBL2200239 0.87 KMT2A (0.40) TRPV1MEN1KMT2AMGLLTSHR
SCHEMBL12429747 0.87 CYP2C9 (0.42) MEN1KMT2AMGLLTSHRLMNA
SCHEMBL2201010 0.82 TRPV1 (0.39) TRPV1MEN1KMT2AMAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN claimed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US claimed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 TRPV1 148/4885MEN1 4450/4885KMT2A 4057/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.